SCHEMBL6678865

SCHEMBL6678865

C=CC(C(=O)O)C(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.48
LMNA P02545 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 3/20 0.46
CES2 O00748 3/20 0.45
CES1 P23141 3/20 0.45
MDM2 Q00987 1/20 0.42
TSHR P16473 3/20 0.41
DAO P14920 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
ATM Q13315 2/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
SRD5A2 P31213 1/20 0.40
HPGD P15428 1/20 0.40
TP53 P04637 1/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1720153 0.91 AKT1 (0.52) AKT1LMNATDP1L3MBTL1ALDH1A1
SCHEMBL5369406 0.84 LMNA (0.49) AKT1LMNATDP1L3MBTL1ALDH1A1
Ammonia Solution, Strong SCHEMBL9507417 0.82 LMNA (0.47) AKT1LMNATDP1L3MBTL1ALDH1A1
SCHEMBL11287380 0.78 LMNA (0.54) AKT1LMNATDP1L3MBTL1ALDH1A1
SCHEMBL27624213 0.77 MEN1 (0.51) LMNATDP1ALDH1A1TSHRPGR
SCHEMBL45241 0.77 LMNA (0.52) AKT1LMNATDP1L3MBTL1ALDH1A1
SCHEMBL28060783 0.76 TDP1 (0.52) AKT1LMNATDP1L3MBTL1ALDH1A1
SCHEMBL9093296 0.75 LMNA (0.51) AKT1LMNATDP1L3MBTL1ALDH1A1
SCHEMBL45332 0.75 AKT1 (0.48) AKT1LMNATDP1L3MBTL1ALDH1A1
SCHEMBL8978421 0.75 AKT1 (0.48) AKT1LMNATDP1L3MBTL1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1476433-A1 NOVEL TRICYCLOIMIDAZOLINE DERIVATIVES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS PIERRE FABRE MEDICAMENT (FR) 2004-11-17 EP disclosed
WO-2003068755-A1 NOVEL TRICYCLOIMIDAZOLINE DERIVATIVES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS PIERRE FABRE MEDICAMENT (FR) 2003-08-21 WO disclosed